7-azanylidene-5-(4-bromophenyl)-3-hexyl-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-3-hexyl-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-3-hexyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-3-hexyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-3-hexyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-3-hexyl-7-imino-8-methyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C22H23BrN4O2 MolecularWeight: 455.34762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

Isomeric SMILES

CCCCCCC1C(C2(C(C(O1)(OC2=N)C3=CC=C(C=C3)Br)C)C#N)(C#N)C#N

InChI

InChI=1S/C22H23BrN4O2/c1-3-4-5-6-7-18-20(12-24,13-25)21(14-26)15(2)22(28-18,29-19(21)27)16-8-10-17(23)11-9-16/h8-11,15,18,27H,3-7H2,1-2H3